5-[[5-(5-nitro-2-oxidanyl-phenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[5-(5-nitro-2-oxidanyl-phenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(2-hydroxy-5-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(2-hydroxy-5-nitrophenyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(2-hydroxy-5-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H9N3O6S MolecularWeight: 359.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)O

InChI

InChI=1S/C15H9N3O6S/c19-11-3-1-7(18(22)23)5-9(11)12-4-2-8(24-12)6-10-13(20)16-15(25)17-14(10)21/h1-6,19H,(H2,16,17,20,21,25)